SCHEMBL13588974

SCHEMBL13588974

O=C(Nc1cccc(-c2ccc3[nH]ccc3c2)c1)[C@@H]1CSCN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.48
▸ PREP P48147 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MGLL Q99685 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ F10 P00742 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MC4R P32245 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ RCOR1 Q9UKL0 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4386061 1.00 ENPP2 (0.48) ENPP2PREPALDH1A1TSHRMGLL
SCHEMBL4386769 0.87 ALDH1A1 (0.51) ENPP2ALDH1A1TSHRMGLLPOLB
SCHEMBL13588851 0.86 NPSR1 (0.58) ENPP2ALDH1A1TSHRNPSR1HSD17B10
SCHEMBL4386504 0.86 NPSR1 (0.58) ENPP2ALDH1A1TSHRNPSR1HSD17B10
SCHEMBL4393296 0.85 POLB (0.61) ENPP2ALDH1A1TSHRMGLLPOLB
SCHEMBL4389357 0.85 NPSR1 (0.55) ENPP2ALDH1A1TSHRNPSR1HSD17B10
SCHEMBL13588973 0.85 POLB (0.61) ENPP2ALDH1A1TSHRMGLLPOLB
SCHEMBL13588972 0.82 ENPP2 (0.48) ENPP2ALDH1A1TSHRMGLLPOLB
SCHEMBL4385641 0.82 ENPP2 (0.48) ENPP2ALDH1A1TSHRMGLLPOLB
SCHEMBL13588976 0.82 POLB (0.51) ENPP2ALDH1A1TSHRMGLLPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-7629340-B2 N-(6-membered aromatic ring)-amido anti-viral compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-12-08 — — US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 — — US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L ENPP2 3704/4885PREP 823/4885ALDH1A1 4167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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